USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot 165:sc= -0.949 USER MOD Set 1.2: A 100 ASN : amide:sc= 0 X(o=-0.95,f=-0.95) USER MOD Set 2.1: A 76 GLN :FLIP amide:sc= -1.45 F(o=-3.6,f=-2.9) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.45 K(o=-2.9,f=-6.3!) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -112:sc= -0.679 (180deg=0) USER MOD Set 3.2: A 91 ASN :FLIP amide:sc= -0.199 F(o=-2.4!,f=-0.39) USER MOD Set 3.3: A 110 SER OG : rot -68:sc= 0.483 USER MOD Set 4.1: A 23 GLN : amide:sc= -0.0324 K(o=-0.032,f=-0.83) USER MOD Set 4.2: A 24 ASN : amide:sc= 0 X(o=-0.032,f=-0.032) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 18:sc= 1.24 USER MOD Single : A 31 ASN : amide:sc= -0.0595 X(o=-0.06,f=-0.51) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -1.14 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -0.489 K(o=-0.49,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.028) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 47 GLN : amide:sc= -1.16! K(o=-1.2!,f=-2.2) USER MOD Single : A 48 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.2) USER MOD Single : A 50 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -175:sc= -1.8! USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= -0.855 (180deg=-2.12!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 142:sc= 0.104 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -46:sc= 0.804 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 90 TYR OH : rot -40:sc= 0.116 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00534 USER MOD Single : A 106 THR OG1 : rot 90:sc= 0.747 USER MOD Single : A 113 THR OG1 : rot -129:sc= 0.0564 USER MOD Single : A 116 SER OG : rot 29:sc= 0.00711 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.208 12.865 -4.043 1.00 0.00 N ATOM 201 CA VAL A 17 -3.116 11.411 -3.998 1.00 0.00 C ATOM 202 C VAL A 17 -2.389 10.868 -5.223 1.00 0.00 C ATOM 203 O VAL A 17 -2.371 11.484 -6.288 1.00 0.00 O ATOM 204 CB VAL A 17 -4.511 10.763 -3.913 1.00 0.00 C ATOM 205 CG1 VAL A 17 -5.103 10.948 -2.524 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.433 11.343 -4.976 1.00 0.00 C ATOM 0 HA VAL A 17 -2.550 11.157 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.407 9.694 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.088 10.484 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.451 10.481 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.194 12.012 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.414 10.874 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.532 12.418 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.014 11.153 -5.964 1.00 0.00 H new ATOM 216 N PRO A 18 -1.775 9.686 -5.070 1.00 0.00 N ATOM 217 CA PRO A 18 -1.035 9.032 -6.154 1.00 0.00 C ATOM 218 C PRO A 18 -1.955 8.523 -7.258 1.00 0.00 C ATOM 219 O PRO A 18 -3.072 8.079 -6.994 1.00 0.00 O ATOM 220 CB PRO A 18 -0.340 7.862 -5.454 1.00 0.00 C ATOM 221 CG PRO A 18 -1.191 7.572 -4.266 1.00 0.00 C ATOM 222 CD PRO A 18 -1.755 8.895 -3.828 1.00 0.00 C ATOM 0 HA PRO A 18 -0.348 9.717 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.267 6.995 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.676 8.124 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.988 6.872 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.605 7.114 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.754 8.786 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.135 9.363 -3.064 1.00 0.00 H new ATOM 230 N SER A 19 -1.477 8.588 -8.497 1.00 0.00 N ATOM 231 CA SER A 19 -2.258 8.136 -9.643 1.00 0.00 C ATOM 232 C SER A 19 -1.505 7.065 -10.425 1.00 0.00 C ATOM 233 O SER A 19 -1.504 7.064 -11.655 1.00 0.00 O ATOM 234 CB SER A 19 -2.588 9.316 -10.559 1.00 0.00 C ATOM 235 OG SER A 19 -3.813 9.923 -10.189 1.00 0.00 O ATOM 0 H SER A 19 -0.553 8.949 -8.733 1.00 0.00 H new ATOM 0 HA SER A 19 -3.187 7.703 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.785 10.052 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.646 8.973 -11.592 1.00 0.00 H new ATOM 0 HG SER A 19 -4.000 10.675 -10.789 1.00 0.00 H new ATOM 241 N ALA A 20 -0.865 6.152 -9.701 1.00 0.00 N ATOM 242 CA ALA A 20 -0.110 5.073 -10.325 1.00 0.00 C ATOM 243 C ALA A 20 -0.263 3.772 -9.544 1.00 0.00 C ATOM 244 O ALA A 20 -0.076 3.742 -8.328 1.00 0.00 O ATOM 245 CB ALA A 20 1.359 5.454 -10.438 1.00 0.00 C ATOM 0 H ALA A 20 -0.855 6.139 -8.681 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.511 4.914 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.911 4.639 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.456 6.354 -11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.764 5.643 -9.444 1.00 0.00 H new ATOM 251 N ALA A 21 -0.604 2.700 -10.251 1.00 0.00 N ATOM 252 CA ALA A 21 -0.781 1.396 -9.624 1.00 0.00 C ATOM 253 C ALA A 21 0.394 0.474 -9.934 1.00 0.00 C ATOM 254 O ALA A 21 1.114 0.655 -10.917 1.00 0.00 O ATOM 255 CB ALA A 21 -2.086 0.763 -10.081 1.00 0.00 C ATOM 0 H ALA A 21 -0.763 2.709 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.820 1.542 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.205 -0.210 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.920 1.407 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.070 0.638 -11.164 1.00 0.00 H new ATOM 261 N PRO A 22 0.594 -0.539 -9.078 1.00 0.00 N ATOM 262 CA PRO A 22 1.681 -1.509 -9.241 1.00 0.00 C ATOM 263 C PRO A 22 1.460 -2.433 -10.434 1.00 0.00 C ATOM 264 O PRO A 22 0.369 -2.971 -10.620 1.00 0.00 O ATOM 265 CB PRO A 22 1.643 -2.306 -7.934 1.00 0.00 C ATOM 266 CG PRO A 22 0.238 -2.179 -7.453 1.00 0.00 C ATOM 267 CD PRO A 22 -0.225 -0.815 -7.886 1.00 0.00 C ATOM 0 HA PRO A 22 2.637 -1.022 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.912 -3.349 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.348 -1.906 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.393 -2.959 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.185 -2.283 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.290 -0.807 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.064 -0.070 -7.107 1.00 0.00 H new ATOM 275 N GLN A 23 2.502 -2.611 -11.240 1.00 0.00 N ATOM 276 CA GLN A 23 2.420 -3.469 -12.415 1.00 0.00 C ATOM 277 C GLN A 23 3.081 -4.818 -12.151 1.00 0.00 C ATOM 278 O GLN A 23 3.545 -5.086 -11.044 1.00 0.00 O ATOM 279 CB GLN A 23 3.082 -2.790 -13.616 1.00 0.00 C ATOM 280 CG GLN A 23 4.297 -1.954 -13.247 1.00 0.00 C ATOM 281 CD GLN A 23 5.173 -1.638 -14.444 1.00 0.00 C ATOM 282 OE1 GLN A 23 5.378 -2.482 -15.317 1.00 0.00 O ATOM 283 NE2 GLN A 23 5.695 -0.418 -14.491 1.00 0.00 N ATOM 0 H GLN A 23 3.412 -2.172 -11.100 1.00 0.00 H new ATOM 0 HA GLN A 23 1.366 -3.638 -12.637 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.381 -3.553 -14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.350 -2.153 -14.112 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.966 -1.023 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.886 -2.486 -12.500 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.499 0.250 -13.745 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.292 -0.149 -15.273 1.00 0.00 H new ATOM 292 N ASN A 24 3.117 -5.664 -13.176 1.00 0.00 N ATOM 293 CA ASN A 24 3.720 -6.987 -13.054 1.00 0.00 C ATOM 294 C ASN A 24 3.107 -7.759 -11.890 1.00 0.00 C ATOM 295 O ASN A 24 3.814 -8.414 -11.124 1.00 0.00 O ATOM 296 CB ASN A 24 5.233 -6.865 -12.859 1.00 0.00 C ATOM 297 CG ASN A 24 5.983 -6.808 -14.176 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.756 -7.709 -14.502 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.757 -5.746 -14.940 1.00 0.00 N ATOM 0 H ASN A 24 2.736 -5.457 -14.099 1.00 0.00 H new ATOM 0 HA ASN A 24 3.522 -7.535 -13.975 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.451 -5.967 -12.281 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.591 -7.714 -12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.233 -5.653 -15.837 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.108 -5.023 -14.630 1.00 0.00 H new ATOM 306 N LEU A 25 1.787 -7.677 -11.763 1.00 0.00 N ATOM 307 CA LEU A 25 1.077 -8.369 -10.693 1.00 0.00 C ATOM 308 C LEU A 25 1.046 -9.873 -10.943 1.00 0.00 C ATOM 309 O LEU A 25 1.202 -10.327 -12.076 1.00 0.00 O ATOM 310 CB LEU A 25 -0.350 -7.831 -10.570 1.00 0.00 C ATOM 311 CG LEU A 25 -1.202 -8.437 -9.454 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.698 -7.986 -8.092 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.665 -8.060 -9.636 1.00 0.00 C ATOM 0 H LEU A 25 1.187 -7.138 -12.388 1.00 0.00 H new ATOM 0 HA LEU A 25 1.610 -8.186 -9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.299 -6.753 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.861 -7.993 -11.519 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.118 -9.522 -9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.317 -8.427 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.335 -8.308 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.751 -6.899 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.257 -8.500 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.767 -6.975 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.021 -8.435 -10.596 1.00 0.00 H new ATOM 325 N SER A 26 0.841 -10.641 -9.877 1.00 0.00 N ATOM 326 CA SER A 26 0.791 -12.094 -9.981 1.00 0.00 C ATOM 327 C SER A 26 0.392 -12.721 -8.648 1.00 0.00 C ATOM 328 O SER A 26 0.570 -12.119 -7.588 1.00 0.00 O ATOM 329 CB SER A 26 2.147 -12.642 -10.430 1.00 0.00 C ATOM 330 OG SER A 26 2.274 -12.595 -11.841 1.00 0.00 O ATOM 0 H SER A 26 0.707 -10.281 -8.932 1.00 0.00 H new ATOM 0 HA SER A 26 0.038 -12.354 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.947 -12.062 -9.970 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.260 -13.670 -10.086 1.00 0.00 H new ATOM 0 HG SER A 26 1.609 -11.976 -12.209 1.00 0.00 H new ATOM 336 N LEU A 27 -0.147 -13.933 -8.709 1.00 0.00 N ATOM 337 CA LEU A 27 -0.571 -14.643 -7.508 1.00 0.00 C ATOM 338 C LEU A 27 -0.013 -16.063 -7.488 1.00 0.00 C ATOM 339 O LEU A 27 -0.585 -16.973 -8.086 1.00 0.00 O ATOM 340 CB LEU A 27 -2.098 -14.683 -7.427 1.00 0.00 C ATOM 341 CG LEU A 27 -2.811 -13.334 -7.529 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.309 -13.533 -7.692 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.514 -12.480 -6.305 1.00 0.00 C ATOM 0 H LEU A 27 -0.301 -14.445 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.181 -14.107 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.467 -15.328 -8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.380 -15.150 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.437 -12.813 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.799 -12.562 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.503 -14.105 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.700 -14.075 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.029 -11.524 -6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.859 -12.996 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.440 -12.308 -6.233 1.00 0.00 H new ATOM 355 N GLU A 28 1.107 -16.243 -6.795 1.00 0.00 N ATOM 356 CA GLU A 28 1.742 -17.553 -6.697 1.00 0.00 C ATOM 357 C GLU A 28 1.007 -18.439 -5.695 1.00 0.00 C ATOM 358 O GLU A 28 1.284 -18.402 -4.496 1.00 0.00 O ATOM 359 CB GLU A 28 3.208 -17.404 -6.284 1.00 0.00 C ATOM 360 CG GLU A 28 3.903 -18.729 -6.020 1.00 0.00 C ATOM 361 CD GLU A 28 4.288 -19.451 -7.296 1.00 0.00 C ATOM 362 OE1 GLU A 28 3.398 -20.067 -7.921 1.00 0.00 O ATOM 363 OE2 GLU A 28 5.478 -19.400 -7.671 1.00 0.00 O ATOM 0 H GLU A 28 1.593 -15.500 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 28 1.695 -18.026 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.745 -16.871 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.263 -16.789 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.798 -18.553 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.246 -19.368 -5.430 1.00 0.00 H new ATOM 370 N VAL A 29 0.068 -19.236 -6.196 1.00 0.00 N ATOM 371 CA VAL A 29 -0.706 -20.132 -5.346 1.00 0.00 C ATOM 372 C VAL A 29 0.191 -21.170 -4.681 1.00 0.00 C ATOM 373 O VAL A 29 0.461 -22.228 -5.250 1.00 0.00 O ATOM 374 CB VAL A 29 -1.804 -20.857 -6.148 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.580 -21.809 -5.252 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.736 -19.850 -6.805 1.00 0.00 C ATOM 0 H VAL A 29 -0.175 -19.279 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.174 -19.515 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.328 -21.444 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.351 -22.312 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.900 -22.551 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.047 -21.248 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.505 -20.379 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.206 -19.235 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.165 -19.214 -7.481 1.00 0.00 H new ATOM 386 N ARG A 30 0.649 -20.860 -3.473 1.00 0.00 N ATOM 387 CA ARG A 30 1.517 -21.766 -2.729 1.00 0.00 C ATOM 388 C ARG A 30 0.764 -23.030 -2.324 1.00 0.00 C ATOM 389 O ARG A 30 1.262 -24.142 -2.492 1.00 0.00 O ATOM 390 CB ARG A 30 2.071 -21.069 -1.486 1.00 0.00 C ATOM 391 CG ARG A 30 2.944 -19.865 -1.801 1.00 0.00 C ATOM 392 CD ARG A 30 4.411 -20.252 -1.907 1.00 0.00 C ATOM 393 NE ARG A 30 4.750 -20.752 -3.236 1.00 0.00 N ATOM 394 CZ ARG A 30 4.713 -22.037 -3.570 1.00 0.00 C ATOM 395 NH1 ARG A 30 4.353 -22.948 -2.675 1.00 0.00 N ATOM 396 NH2 ARG A 30 5.036 -22.414 -4.800 1.00 0.00 N ATOM 0 H ARG A 30 0.434 -19.989 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 30 2.346 -22.050 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.239 -20.750 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.652 -21.786 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.617 -19.413 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.821 -19.112 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.032 -19.386 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.639 -21.015 -1.163 1.00 0.00 H new ATOM 0 HE ARG A 30 5.031 -20.077 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.104 -22.662 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.325 -23.934 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.313 -21.717 -5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.007 -23.401 -5.055 1.00 0.00 H new ATOM 410 N ASN A 31 -0.440 -22.849 -1.789 1.00 0.00 N ATOM 411 CA ASN A 31 -1.261 -23.975 -1.359 1.00 0.00 C ATOM 412 C ASN A 31 -2.726 -23.749 -1.721 1.00 0.00 C ATOM 413 O ASN A 31 -3.075 -22.745 -2.341 1.00 0.00 O ATOM 414 CB ASN A 31 -1.124 -24.185 0.151 1.00 0.00 C ATOM 415 CG ASN A 31 0.056 -25.069 0.507 1.00 0.00 C ATOM 416 OD1 ASN A 31 0.277 -26.108 -0.116 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.819 -24.660 1.513 1.00 0.00 N ATOM 0 H ASN A 31 -0.868 -21.935 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.910 -24.868 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.011 -23.218 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.040 -24.633 0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.627 -25.214 1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.598 -23.792 2.001 1.00 0.00 H new ATOM 424 N SER A 32 -3.578 -24.691 -1.329 1.00 0.00 N ATOM 425 CA SER A 32 -5.005 -24.597 -1.615 1.00 0.00 C ATOM 426 C SER A 32 -5.678 -23.581 -0.696 1.00 0.00 C ATOM 427 O SER A 32 -6.692 -22.981 -1.051 1.00 0.00 O ATOM 428 CB SER A 32 -5.670 -25.965 -1.455 1.00 0.00 C ATOM 429 OG SER A 32 -5.480 -26.475 -0.147 1.00 0.00 O ATOM 0 H SER A 32 -3.305 -25.527 -0.813 1.00 0.00 H new ATOM 0 HA SER A 32 -5.122 -24.262 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.736 -25.881 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.256 -26.662 -2.184 1.00 0.00 H new ATOM 0 HG SER A 32 -5.916 -27.349 -0.070 1.00 0.00 H new ATOM 435 N LYS A 33 -5.105 -23.395 0.489 1.00 0.00 N ATOM 436 CA LYS A 33 -5.646 -22.452 1.461 1.00 0.00 C ATOM 437 C LYS A 33 -4.702 -21.271 1.657 1.00 0.00 C ATOM 438 O LYS A 33 -4.794 -20.549 2.650 1.00 0.00 O ATOM 439 CB LYS A 33 -5.890 -23.152 2.800 1.00 0.00 C ATOM 440 CG LYS A 33 -4.612 -23.526 3.532 1.00 0.00 C ATOM 441 CD LYS A 33 -4.870 -23.786 5.006 1.00 0.00 C ATOM 442 CE LYS A 33 -3.651 -23.454 5.852 1.00 0.00 C ATOM 443 NZ LYS A 33 -3.850 -23.822 7.281 1.00 0.00 N ATOM 0 H LYS A 33 -4.266 -23.885 0.799 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.594 -22.076 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.487 -22.500 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.477 -24.054 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.177 -24.415 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.882 -22.723 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.719 -23.189 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.140 -24.832 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.782 -23.981 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.437 -22.388 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.997 -23.580 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.664 -23.300 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.029 -24.844 7.355 1.00 0.00 H new ATOM 457 N SER A 34 -3.796 -21.079 0.704 1.00 0.00 N ATOM 458 CA SER A 34 -2.833 -19.986 0.774 1.00 0.00 C ATOM 459 C SER A 34 -2.475 -19.488 -0.623 1.00 0.00 C ATOM 460 O SER A 34 -2.301 -20.279 -1.551 1.00 0.00 O ATOM 461 CB SER A 34 -1.568 -20.438 1.506 1.00 0.00 C ATOM 462 OG SER A 34 -0.623 -20.985 0.602 1.00 0.00 O ATOM 0 H SER A 34 -3.708 -21.666 -0.126 1.00 0.00 H new ATOM 0 HA SER A 34 -3.291 -19.166 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.126 -19.591 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.827 -21.181 2.260 1.00 0.00 H new ATOM 0 HG SER A 34 0.177 -21.265 1.094 1.00 0.00 H new ATOM 468 N ILE A 35 -2.366 -18.171 -0.765 1.00 0.00 N ATOM 469 CA ILE A 35 -2.028 -17.566 -2.047 1.00 0.00 C ATOM 470 C ILE A 35 -1.107 -16.365 -1.863 1.00 0.00 C ATOM 471 O ILE A 35 -1.488 -15.366 -1.254 1.00 0.00 O ATOM 472 CB ILE A 35 -3.290 -17.119 -2.809 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.134 -18.334 -3.199 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.907 -16.315 -4.043 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.497 -17.973 -3.747 1.00 0.00 C ATOM 0 H ILE A 35 -2.507 -17.503 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.513 -18.330 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.885 -16.482 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.594 -18.917 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.260 -18.974 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.809 -16.006 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.343 -15.432 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.294 -16.930 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.039 -18.883 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.056 -17.416 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.379 -17.359 -4.640 1.00 0.00 H new ATOM 487 N MET A 36 0.106 -16.469 -2.395 1.00 0.00 N ATOM 488 CA MET A 36 1.081 -15.390 -2.292 1.00 0.00 C ATOM 489 C MET A 36 0.914 -14.395 -3.436 1.00 0.00 C ATOM 490 O MET A 36 0.818 -14.785 -4.600 1.00 0.00 O ATOM 491 CB MET A 36 2.503 -15.955 -2.295 1.00 0.00 C ATOM 492 CG MET A 36 3.578 -14.895 -2.469 1.00 0.00 C ATOM 493 SD MET A 36 3.659 -13.754 -1.075 1.00 0.00 S ATOM 494 CE MET A 36 5.160 -14.308 -0.271 1.00 0.00 C ATOM 0 H MET A 36 0.437 -17.290 -2.902 1.00 0.00 H new ATOM 0 HA MET A 36 0.908 -14.867 -1.351 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.676 -16.486 -1.359 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.593 -16.687 -3.098 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.546 -15.381 -2.593 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.385 -14.333 -3.383 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.346 -13.697 0.612 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.050 -15.351 0.025 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.999 -14.213 -0.961 1.00 0.00 H new ATOM 504 N ILE A 37 0.880 -13.111 -3.097 1.00 0.00 N ATOM 505 CA ILE A 37 0.725 -12.061 -4.097 1.00 0.00 C ATOM 506 C ILE A 37 2.057 -11.378 -4.387 1.00 0.00 C ATOM 507 O ILE A 37 2.784 -10.996 -3.469 1.00 0.00 O ATOM 508 CB ILE A 37 -0.297 -11.001 -3.647 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.517 -11.673 -3.014 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.714 -10.134 -4.825 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.301 -10.761 -2.096 1.00 0.00 C ATOM 0 H ILE A 37 0.958 -12.772 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 37 0.361 -12.541 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 37 0.171 -10.362 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.175 -12.032 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.189 -12.547 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.437 -9.390 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.162 -9.631 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.167 -10.759 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.151 -11.304 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.658 -10.422 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.659 -9.899 -2.659 1.00 0.00 H new ATOM 523 N HIS A 38 2.370 -11.224 -5.670 1.00 0.00 N ATOM 524 CA HIS A 38 3.614 -10.583 -6.081 1.00 0.00 C ATOM 525 C HIS A 38 3.338 -9.412 -7.019 1.00 0.00 C ATOM 526 O HIS A 38 2.832 -9.597 -8.126 1.00 0.00 O ATOM 527 CB HIS A 38 4.532 -11.595 -6.767 1.00 0.00 C ATOM 528 CG HIS A 38 5.191 -12.546 -5.817 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.261 -12.195 -5.021 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.925 -13.843 -5.535 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.626 -13.235 -4.293 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.830 -14.248 -4.585 1.00 0.00 N ATOM 0 H HIS A 38 1.780 -11.534 -6.442 1.00 0.00 H new ATOM 0 HA HIS A 38 4.109 -10.202 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.953 -12.164 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.301 -11.058 -7.322 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.702 -11.276 -4.998 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.146 -14.447 -5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.437 -13.254 -3.580 1.00 0.00 H new ATOM 541 N TRP A 39 3.672 -8.208 -6.569 1.00 0.00 N ATOM 542 CA TRP A 39 3.459 -7.007 -7.368 1.00 0.00 C ATOM 543 C TRP A 39 4.725 -6.159 -7.425 1.00 0.00 C ATOM 544 O TRP A 39 5.647 -6.353 -6.634 1.00 0.00 O ATOM 545 CB TRP A 39 2.305 -6.184 -6.792 1.00 0.00 C ATOM 546 CG TRP A 39 2.592 -5.631 -5.429 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.156 -4.421 -5.138 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.332 -6.267 -4.174 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.261 -4.268 -3.777 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.762 -5.385 -3.163 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.775 -7.495 -3.805 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.653 -5.695 -1.810 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.668 -7.801 -2.461 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.104 -6.904 -1.477 1.00 0.00 C ATOM 0 H TRP A 39 4.091 -8.038 -5.655 1.00 0.00 H new ATOM 0 HA TRP A 39 3.205 -7.316 -8.382 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.081 -5.361 -7.470 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.413 -6.808 -6.743 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.472 -3.693 -5.870 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.648 -3.453 -3.301 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.434 -8.192 -4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.990 -5.006 -1.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.241 -8.748 -2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.005 -7.172 -0.435 1.00 0.00 H new ATOM 565 N GLN A 40 4.761 -5.220 -8.365 1.00 0.00 N ATOM 566 CA GLN A 40 5.915 -4.343 -8.524 1.00 0.00 C ATOM 567 C GLN A 40 5.499 -2.877 -8.455 1.00 0.00 C ATOM 568 O GLN A 40 4.361 -2.515 -8.752 1.00 0.00 O ATOM 569 CB GLN A 40 6.617 -4.624 -9.854 1.00 0.00 C ATOM 570 CG GLN A 40 7.237 -6.010 -9.934 1.00 0.00 C ATOM 571 CD GLN A 40 8.465 -6.151 -9.055 1.00 0.00 C ATOM 572 OE1 GLN A 40 9.487 -5.504 -9.288 1.00 0.00 O ATOM 573 NE2 GLN A 40 8.370 -6.998 -8.037 1.00 0.00 N ATOM 0 H GLN A 40 4.005 -5.047 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 40 6.607 -4.544 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.899 -4.509 -10.666 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.396 -3.877 -10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.496 -6.753 -9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.508 -6.224 -10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.504 -7.513 -7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.163 -7.133 -7.410 1.00 0.00 H new ATOM 582 N PRO A 41 6.443 -2.012 -8.054 1.00 0.00 N ATOM 583 CA PRO A 41 6.197 -0.572 -7.936 1.00 0.00 C ATOM 584 C PRO A 41 6.021 0.099 -9.295 1.00 0.00 C ATOM 585 O PRO A 41 6.662 -0.265 -10.281 1.00 0.00 O ATOM 586 CB PRO A 41 7.460 -0.053 -7.243 1.00 0.00 C ATOM 587 CG PRO A 41 8.517 -1.044 -7.589 1.00 0.00 C ATOM 588 CD PRO A 41 7.822 -2.374 -7.684 1.00 0.00 C ATOM 0 HA PRO A 41 5.277 -0.358 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.723 0.945 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.320 0.016 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.999 -0.787 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.297 -1.065 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.284 -3.016 -8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.856 -2.914 -6.738 1.00 0.00 H new ATOM 596 N PRO A 42 5.133 1.102 -9.349 1.00 0.00 N ATOM 597 CA PRO A 42 4.853 1.845 -10.582 1.00 0.00 C ATOM 598 C PRO A 42 6.022 2.727 -11.005 1.00 0.00 C ATOM 599 O PRO A 42 6.974 2.918 -10.248 1.00 0.00 O ATOM 600 CB PRO A 42 3.642 2.704 -10.210 1.00 0.00 C ATOM 601 CG PRO A 42 3.729 2.864 -8.732 1.00 0.00 C ATOM 602 CD PRO A 42 4.333 1.588 -8.213 1.00 0.00 C ATOM 0 HA PRO A 42 4.678 1.180 -11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.672 3.670 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.710 2.221 -10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.345 3.723 -8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.743 3.034 -8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.951 1.765 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.566 0.869 -7.925 1.00 0.00 H new ATOM 610 N ALA A 43 5.944 3.264 -12.218 1.00 0.00 N ATOM 611 CA ALA A 43 6.995 4.128 -12.740 1.00 0.00 C ATOM 612 C ALA A 43 7.202 5.344 -11.844 1.00 0.00 C ATOM 613 O ALA A 43 6.292 5.794 -11.147 1.00 0.00 O ATOM 614 CB ALA A 43 6.662 4.566 -14.159 1.00 0.00 C ATOM 0 H ALA A 43 5.163 3.116 -12.858 1.00 0.00 H new ATOM 0 HA ALA A 43 7.924 3.559 -12.756 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.456 5.211 -14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.572 3.688 -14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.719 5.113 -14.159 1.00 0.00 H new ATOM 620 N PRO A 44 8.426 5.891 -11.860 1.00 0.00 N ATOM 621 CA PRO A 44 8.781 7.063 -11.053 1.00 0.00 C ATOM 622 C PRO A 44 8.100 8.334 -11.548 1.00 0.00 C ATOM 623 O PRO A 44 7.596 9.129 -10.754 1.00 0.00 O ATOM 624 CB PRO A 44 10.298 7.167 -11.226 1.00 0.00 C ATOM 625 CG PRO A 44 10.576 6.507 -12.533 1.00 0.00 C ATOM 626 CD PRO A 44 9.559 5.408 -12.667 1.00 0.00 C ATOM 0 HA PRO A 44 8.463 6.955 -10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.626 8.207 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.824 6.670 -10.411 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.492 7.218 -13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.589 6.106 -12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.273 5.250 -13.707 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.942 4.458 -12.294 1.00 0.00 H new ATOM 634 N ALA A 45 8.089 8.521 -12.864 1.00 0.00 N ATOM 635 CA ALA A 45 7.467 9.695 -13.464 1.00 0.00 C ATOM 636 C ALA A 45 6.050 9.896 -12.936 1.00 0.00 C ATOM 637 O ALA A 45 5.702 10.976 -12.458 1.00 0.00 O ATOM 638 CB ALA A 45 7.455 9.569 -14.980 1.00 0.00 C ATOM 0 H ALA A 45 8.504 7.874 -13.535 1.00 0.00 H new ATOM 0 HA ALA A 45 8.057 10.569 -13.188 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.988 10.453 -15.415 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.478 9.482 -15.346 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.891 8.682 -15.267 1.00 0.00 H new ATOM 644 N THR A 46 5.236 8.849 -13.028 1.00 0.00 N ATOM 645 CA THR A 46 3.856 8.912 -12.562 1.00 0.00 C ATOM 646 C THR A 46 3.794 9.158 -11.059 1.00 0.00 C ATOM 647 O THR A 46 3.112 10.073 -10.599 1.00 0.00 O ATOM 648 CB THR A 46 3.093 7.615 -12.890 1.00 0.00 C ATOM 649 OG1 THR A 46 3.906 6.477 -12.580 1.00 0.00 O ATOM 650 CG2 THR A 46 2.696 7.577 -14.358 1.00 0.00 C ATOM 0 H THR A 46 5.508 7.948 -13.421 1.00 0.00 H new ATOM 0 HA THR A 46 3.384 9.745 -13.084 1.00 0.00 H new ATOM 0 HB THR A 46 2.187 7.589 -12.285 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.413 5.656 -12.790 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.158 6.652 -14.566 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.054 8.428 -14.583 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.591 7.624 -14.978 1.00 0.00 H new ATOM 658 N GLN A 47 4.511 8.336 -10.299 1.00 0.00 N ATOM 659 CA GLN A 47 4.536 8.466 -8.847 1.00 0.00 C ATOM 660 C GLN A 47 4.848 9.901 -8.434 1.00 0.00 C ATOM 661 O GLN A 47 5.925 10.420 -8.723 1.00 0.00 O ATOM 662 CB GLN A 47 5.572 7.514 -8.246 1.00 0.00 C ATOM 663 CG GLN A 47 5.108 6.067 -8.190 1.00 0.00 C ATOM 664 CD GLN A 47 5.999 5.202 -7.322 1.00 0.00 C ATOM 665 OE1 GLN A 47 6.197 5.484 -6.140 1.00 0.00 O ATOM 666 NE2 GLN A 47 6.543 4.140 -7.905 1.00 0.00 N ATOM 0 H GLN A 47 5.082 7.574 -10.664 1.00 0.00 H new ATOM 0 HA GLN A 47 3.548 8.204 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.489 7.570 -8.833 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.818 7.847 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.088 6.031 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.083 5.658 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.352 3.944 -8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.152 3.521 -7.370 1.00 0.00 H new ATOM 675 N ASN A 48 3.897 10.536 -7.757 1.00 0.00 N ATOM 676 CA ASN A 48 4.071 11.912 -7.305 1.00 0.00 C ATOM 677 C ASN A 48 3.945 12.007 -5.787 1.00 0.00 C ATOM 678 O ASN A 48 3.181 12.818 -5.267 1.00 0.00 O ATOM 679 CB ASN A 48 3.038 12.824 -7.971 1.00 0.00 C ATOM 680 CG ASN A 48 1.766 12.084 -8.340 1.00 0.00 C ATOM 681 OD1 ASN A 48 1.501 11.830 -9.515 1.00 0.00 O ATOM 682 ND2 ASN A 48 0.973 11.734 -7.334 1.00 0.00 N ATOM 0 H ASN A 48 2.999 10.121 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 48 5.072 12.237 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.795 13.646 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.472 13.265 -8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.104 11.234 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.233 11.966 -6.375 1.00 0.00 H new ATOM 689 N GLY A 49 4.701 11.170 -5.083 1.00 0.00 N ATOM 690 CA GLY A 49 4.659 11.175 -3.632 1.00 0.00 C ATOM 691 C GLY A 49 5.509 10.077 -3.024 1.00 0.00 C ATOM 692 O GLY A 49 6.297 9.437 -3.720 1.00 0.00 O ATOM 0 H GLY A 49 5.341 10.489 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.003 12.142 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.627 11.057 -3.301 1.00 0.00 H new ATOM 696 N GLN A 50 5.349 9.859 -1.723 1.00 0.00 N ATOM 697 CA GLN A 50 6.110 8.832 -1.021 1.00 0.00 C ATOM 698 C GLN A 50 5.209 7.673 -0.610 1.00 0.00 C ATOM 699 O GLN A 50 4.133 7.879 -0.048 1.00 0.00 O ATOM 700 CB GLN A 50 6.792 9.426 0.212 1.00 0.00 C ATOM 701 CG GLN A 50 5.817 9.918 1.269 1.00 0.00 C ATOM 702 CD GLN A 50 6.500 10.696 2.377 1.00 0.00 C ATOM 703 OE1 GLN A 50 7.590 11.238 2.189 1.00 0.00 O ATOM 704 NE2 GLN A 50 5.861 10.756 3.539 1.00 0.00 N ATOM 0 H GLN A 50 4.699 10.380 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 50 6.873 8.452 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.445 8.673 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.427 10.256 -0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.064 10.550 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.293 9.065 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.960 10.292 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.271 11.266 4.321 1.00 0.00 H new ATOM 713 N ILE A 51 5.655 6.454 -0.893 1.00 0.00 N ATOM 714 CA ILE A 51 4.889 5.262 -0.552 1.00 0.00 C ATOM 715 C ILE A 51 5.189 4.804 0.872 1.00 0.00 C ATOM 716 O ILE A 51 6.338 4.828 1.315 1.00 0.00 O ATOM 717 CB ILE A 51 5.186 4.104 -1.524 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.697 4.453 -2.931 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.533 2.820 -1.034 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.173 3.487 -3.993 1.00 0.00 C ATOM 0 H ILE A 51 6.543 6.266 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 51 3.836 5.531 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 51 6.264 3.948 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.607 4.475 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.036 5.457 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.752 2.011 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.924 2.566 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.454 2.962 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.788 3.796 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.263 3.483 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.811 2.485 -3.762 1.00 0.00 H new ATOM 732 N THR A 52 4.148 4.386 1.585 1.00 0.00 N ATOM 733 CA THR A 52 4.299 3.922 2.958 1.00 0.00 C ATOM 734 C THR A 52 3.863 2.469 3.099 1.00 0.00 C ATOM 735 O THR A 52 4.421 1.717 3.897 1.00 0.00 O ATOM 736 CB THR A 52 3.483 4.788 3.937 1.00 0.00 C ATOM 737 OG1 THR A 52 2.092 4.722 3.606 1.00 0.00 O ATOM 738 CG2 THR A 52 3.951 6.235 3.898 1.00 0.00 C ATOM 0 H THR A 52 3.191 4.359 1.234 1.00 0.00 H new ATOM 0 HA THR A 52 5.357 4.006 3.205 1.00 0.00 H new ATOM 0 HB THR A 52 3.635 4.401 4.944 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.580 5.273 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.361 6.827 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.003 6.285 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.825 6.631 2.890 1.00 0.00 H new ATOM 746 N GLY A 53 2.861 2.078 2.317 1.00 0.00 N ATOM 747 CA GLY A 53 2.368 0.714 2.370 1.00 0.00 C ATOM 748 C GLY A 53 1.406 0.401 1.240 1.00 0.00 C ATOM 749 O GLY A 53 1.062 1.279 0.448 1.00 0.00 O ATOM 0 H GLY A 53 2.382 2.681 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.211 0.024 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.869 0.548 3.325 1.00 0.00 H new ATOM 753 N TYR A 54 0.973 -0.852 1.164 1.00 0.00 N ATOM 754 CA TYR A 54 0.049 -1.280 0.121 1.00 0.00 C ATOM 755 C TYR A 54 -1.155 -2.000 0.720 1.00 0.00 C ATOM 756 O TYR A 54 -1.022 -2.771 1.671 1.00 0.00 O ATOM 757 CB TYR A 54 0.761 -2.196 -0.876 1.00 0.00 C ATOM 758 CG TYR A 54 1.865 -1.509 -1.648 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.104 -1.276 -1.066 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.668 -1.094 -2.959 1.00 0.00 C ATOM 761 CE1 TYR A 54 4.116 -0.648 -1.767 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.674 -0.467 -3.668 1.00 0.00 C ATOM 763 CZ TYR A 54 3.896 -0.246 -3.068 1.00 0.00 C ATOM 764 OH TYR A 54 4.901 0.379 -3.771 1.00 0.00 O ATOM 0 H TYR A 54 1.247 -1.590 1.813 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.306 -0.391 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.180 -3.047 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.029 -2.592 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.280 -1.591 -0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.712 -1.264 -3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.073 -0.473 -1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.505 -0.151 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 54 4.560 0.668 -4.643 1.00 0.00 H new ATOM 774 N LYS A 55 -2.331 -1.743 0.157 1.00 0.00 N ATOM 775 CA LYS A 55 -3.560 -2.366 0.633 1.00 0.00 C ATOM 776 C LYS A 55 -4.001 -3.485 -0.305 1.00 0.00 C ATOM 777 O LYS A 55 -4.326 -3.241 -1.468 1.00 0.00 O ATOM 778 CB LYS A 55 -4.671 -1.321 0.756 1.00 0.00 C ATOM 779 CG LYS A 55 -4.781 -0.710 2.142 1.00 0.00 C ATOM 780 CD LYS A 55 -5.371 0.690 2.089 1.00 0.00 C ATOM 781 CE LYS A 55 -5.640 1.235 3.483 1.00 0.00 C ATOM 782 NZ LYS A 55 -4.378 1.571 4.199 1.00 0.00 N ATOM 0 H LYS A 55 -2.459 -1.107 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.364 -2.796 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.493 -0.527 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.623 -1.783 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.404 -1.345 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.794 -0.673 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.686 1.355 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.300 0.673 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.265 2.125 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.200 0.498 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.520 1.462 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.620 0.932 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.111 2.554 3.990 1.00 0.00 H new ATOM 796 N ILE A 56 -4.011 -4.711 0.207 1.00 0.00 N ATOM 797 CA ILE A 56 -4.415 -5.866 -0.585 1.00 0.00 C ATOM 798 C ILE A 56 -5.761 -6.409 -0.118 1.00 0.00 C ATOM 799 O ILE A 56 -5.837 -7.147 0.864 1.00 0.00 O ATOM 800 CB ILE A 56 -3.366 -6.992 -0.513 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.992 -6.466 -0.931 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.783 -8.160 -1.394 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.842 -7.303 -0.415 1.00 0.00 C ATOM 0 H ILE A 56 -3.744 -4.930 1.167 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.502 -5.527 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.301 -7.344 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.943 -6.427 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.878 -5.444 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.032 -8.948 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.744 -8.547 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.872 -7.823 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.101 -6.871 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.866 -7.322 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.932 -8.320 -0.797 1.00 0.00 H new ATOM 815 N ARG A 57 -6.821 -6.040 -0.830 1.00 0.00 N ATOM 816 CA ARG A 57 -8.165 -6.491 -0.490 1.00 0.00 C ATOM 817 C ARG A 57 -8.601 -7.636 -1.399 1.00 0.00 C ATOM 818 O ARG A 57 -8.330 -7.626 -2.600 1.00 0.00 O ATOM 819 CB ARG A 57 -9.157 -5.332 -0.599 1.00 0.00 C ATOM 820 CG ARG A 57 -9.327 -4.552 0.695 1.00 0.00 C ATOM 821 CD ARG A 57 -9.987 -3.204 0.449 1.00 0.00 C ATOM 822 NE ARG A 57 -9.020 -2.184 0.053 1.00 0.00 N ATOM 823 CZ ARG A 57 -8.716 -1.912 -1.211 1.00 0.00 C ATOM 824 NH1 ARG A 57 -9.300 -2.581 -2.196 1.00 0.00 N ATOM 825 NH2 ARG A 57 -7.825 -0.970 -1.493 1.00 0.00 N ATOM 0 H ARG A 57 -6.775 -5.430 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.151 -6.853 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.823 -4.652 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.127 -5.723 -0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.930 -5.132 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.353 -4.402 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.743 -3.308 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.503 -2.883 1.354 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.553 -1.652 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.985 -3.307 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.064 -2.370 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.373 -0.454 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.593 -0.762 -2.464 1.00 0.00 H new ATOM 839 N TYR A 58 -9.277 -8.621 -0.818 1.00 0.00 N ATOM 840 CA TYR A 58 -9.748 -9.775 -1.575 1.00 0.00 C ATOM 841 C TYR A 58 -11.124 -10.220 -1.090 1.00 0.00 C ATOM 842 O TYR A 58 -11.585 -9.802 -0.027 1.00 0.00 O ATOM 843 CB TYR A 58 -8.754 -10.931 -1.454 1.00 0.00 C ATOM 844 CG TYR A 58 -8.514 -11.377 -0.030 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.657 -10.669 0.805 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.142 -12.505 0.482 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.434 -11.073 2.107 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.926 -12.915 1.783 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.071 -12.196 2.592 1.00 0.00 C ATOM 850 OH TYR A 58 -7.852 -12.602 3.888 1.00 0.00 O ATOM 0 H TYR A 58 -9.511 -8.644 0.175 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.829 -9.482 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.122 -11.778 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.804 -10.630 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.157 -9.788 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.811 -13.072 -0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.764 -10.512 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.424 -13.794 2.165 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.377 -13.409 4.071 1.00 0.00 H new ATOM 860 N ARG A 59 -11.775 -11.071 -1.876 1.00 0.00 N ATOM 861 CA ARG A 59 -13.099 -11.573 -1.528 1.00 0.00 C ATOM 862 C ARG A 59 -13.319 -12.969 -2.104 1.00 0.00 C ATOM 863 O ARG A 59 -12.451 -13.516 -2.784 1.00 0.00 O ATOM 864 CB ARG A 59 -14.180 -10.621 -2.043 1.00 0.00 C ATOM 865 CG ARG A 59 -14.244 -10.533 -3.559 1.00 0.00 C ATOM 866 CD ARG A 59 -14.990 -9.289 -4.014 1.00 0.00 C ATOM 867 NE ARG A 59 -14.296 -8.063 -3.630 1.00 0.00 N ATOM 868 CZ ARG A 59 -14.904 -6.892 -3.477 1.00 0.00 C ATOM 869 NH1 ARG A 59 -16.211 -6.789 -3.674 1.00 0.00 N ATOM 870 NH2 ARG A 59 -14.204 -5.821 -3.125 1.00 0.00 N ATOM 0 H ARG A 59 -11.407 -11.427 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.164 -11.632 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.149 -10.947 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.999 -9.626 -1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.233 -10.522 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.738 -11.420 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.109 -9.314 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.991 -9.289 -3.583 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.290 -8.108 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.752 -7.610 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.675 -5.888 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.198 -5.897 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.672 -4.922 -3.008 1.00 0.00 H new ATOM 884 N LYS A 60 -14.486 -13.540 -1.826 1.00 0.00 N ATOM 885 CA LYS A 60 -14.823 -14.871 -2.316 1.00 0.00 C ATOM 886 C LYS A 60 -15.751 -14.788 -3.523 1.00 0.00 C ATOM 887 O LYS A 60 -16.840 -14.220 -3.442 1.00 0.00 O ATOM 888 CB LYS A 60 -15.483 -15.694 -1.206 1.00 0.00 C ATOM 889 CG LYS A 60 -14.496 -16.484 -0.365 1.00 0.00 C ATOM 890 CD LYS A 60 -15.161 -17.077 0.865 1.00 0.00 C ATOM 891 CE LYS A 60 -14.186 -17.918 1.675 1.00 0.00 C ATOM 892 NZ LYS A 60 -14.856 -18.595 2.820 1.00 0.00 N ATOM 0 H LYS A 60 -15.215 -13.101 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.900 -15.362 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.047 -15.025 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.199 -16.383 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.062 -17.283 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.676 -15.835 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.556 -16.275 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.008 -17.692 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.728 -18.666 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.382 -17.284 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.458 -19.548 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.702 -18.043 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.876 -18.667 2.632 1.00 0.00 H new ATOM 906 N ALA A 61 -15.314 -15.360 -4.640 1.00 0.00 N ATOM 907 CA ALA A 61 -16.108 -15.353 -5.863 1.00 0.00 C ATOM 908 C ALA A 61 -17.586 -15.575 -5.559 1.00 0.00 C ATOM 909 O ALA A 61 -18.455 -14.949 -6.166 1.00 0.00 O ATOM 910 CB ALA A 61 -15.601 -16.415 -6.827 1.00 0.00 C ATOM 0 H ALA A 61 -14.415 -15.834 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.003 -14.374 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.203 -16.399 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.560 -16.212 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.677 -17.397 -6.359 1.00 0.00 H new ATOM 916 N SER A 62 -17.864 -16.469 -4.616 1.00 0.00 N ATOM 917 CA SER A 62 -19.237 -16.777 -4.234 1.00 0.00 C ATOM 918 C SER A 62 -19.930 -15.545 -3.661 1.00 0.00 C ATOM 919 O SER A 62 -20.966 -15.110 -4.165 1.00 0.00 O ATOM 920 CB SER A 62 -19.263 -17.913 -3.211 1.00 0.00 C ATOM 921 OG SER A 62 -18.673 -19.089 -3.739 1.00 0.00 O ATOM 0 H SER A 62 -17.156 -16.993 -4.102 1.00 0.00 H new ATOM 0 HA SER A 62 -19.774 -17.092 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.730 -17.608 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.292 -18.119 -2.918 1.00 0.00 H new ATOM 0 HG SER A 62 -18.701 -19.800 -3.065 1.00 0.00 H new ATOM 927 N ARG A 63 -19.352 -14.987 -2.602 1.00 0.00 N ATOM 928 CA ARG A 63 -19.913 -13.806 -1.958 1.00 0.00 C ATOM 929 C ARG A 63 -18.941 -12.633 -2.031 1.00 0.00 C ATOM 930 O ARG A 63 -18.011 -12.531 -1.229 1.00 0.00 O ATOM 931 CB ARG A 63 -20.255 -14.109 -0.498 1.00 0.00 C ATOM 932 CG ARG A 63 -19.042 -14.449 0.354 1.00 0.00 C ATOM 933 CD ARG A 63 -19.427 -15.291 1.560 1.00 0.00 C ATOM 934 NE ARG A 63 -19.996 -14.482 2.634 1.00 0.00 N ATOM 935 CZ ARG A 63 -20.786 -14.972 3.583 1.00 0.00 C ATOM 936 NH1 ARG A 63 -21.098 -16.260 3.591 1.00 0.00 N ATOM 937 NH2 ARG A 63 -21.265 -14.172 4.527 1.00 0.00 N ATOM 0 H ARG A 63 -18.495 -15.334 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.825 -13.533 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.762 -13.246 -0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.958 -14.942 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.312 -14.988 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.562 -13.530 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.148 -16.050 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -18.547 -15.817 1.930 1.00 0.00 H new ATOM 0 HE ARG A 63 -19.775 -13.487 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -20.731 -16.878 2.867 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.705 -16.633 4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -21.027 -13.180 4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.872 -14.549 5.255 1.00 0.00 H new ATOM 951 N LYS A 64 -19.161 -11.748 -2.997 1.00 0.00 N ATOM 952 CA LYS A 64 -18.305 -10.581 -3.176 1.00 0.00 C ATOM 953 C LYS A 64 -18.486 -9.593 -2.028 1.00 0.00 C ATOM 954 O LYS A 64 -17.795 -8.577 -1.956 1.00 0.00 O ATOM 955 CB LYS A 64 -18.616 -9.894 -4.507 1.00 0.00 C ATOM 956 CG LYS A 64 -18.427 -10.795 -5.715 1.00 0.00 C ATOM 957 CD LYS A 64 -17.008 -10.718 -6.252 1.00 0.00 C ATOM 958 CE LYS A 64 -16.800 -11.672 -7.418 1.00 0.00 C ATOM 959 NZ LYS A 64 -15.371 -11.743 -7.830 1.00 0.00 N ATOM 0 H LYS A 64 -19.926 -11.817 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.269 -10.919 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.645 -9.535 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.975 -9.019 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -18.658 -11.825 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -19.129 -10.508 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.794 -9.698 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.303 -10.956 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.147 -12.667 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.406 -11.348 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.260 -11.317 -8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.786 -11.225 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.068 -12.737 -7.862 1.00 0.00 H new ATOM 973 N SER A 65 -19.419 -9.898 -1.132 1.00 0.00 N ATOM 974 CA SER A 65 -19.693 -9.036 0.012 1.00 0.00 C ATOM 975 C SER A 65 -18.627 -9.209 1.090 1.00 0.00 C ATOM 976 O SER A 65 -18.246 -8.250 1.761 1.00 0.00 O ATOM 977 CB SER A 65 -21.075 -9.343 0.591 1.00 0.00 C ATOM 978 OG SER A 65 -22.079 -8.580 -0.054 1.00 0.00 O ATOM 0 H SER A 65 -19.998 -10.736 -1.176 1.00 0.00 H new ATOM 0 HA SER A 65 -19.673 -8.002 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.292 -10.405 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.081 -9.128 1.660 1.00 0.00 H new ATOM 0 HG SER A 65 -22.953 -8.796 0.333 1.00 0.00 H new ATOM 984 N ASP A 66 -18.151 -10.438 1.250 1.00 0.00 N ATOM 985 CA ASP A 66 -17.128 -10.739 2.245 1.00 0.00 C ATOM 986 C ASP A 66 -15.742 -10.361 1.731 1.00 0.00 C ATOM 987 O ASP A 66 -15.149 -11.080 0.927 1.00 0.00 O ATOM 988 CB ASP A 66 -17.163 -12.224 2.611 1.00 0.00 C ATOM 989 CG ASP A 66 -16.268 -12.550 3.790 1.00 0.00 C ATOM 990 OD1 ASP A 66 -15.114 -12.073 3.809 1.00 0.00 O ATOM 991 OD2 ASP A 66 -16.721 -13.284 4.694 1.00 0.00 O ATOM 0 H ASP A 66 -18.457 -11.243 0.703 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.338 -10.148 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.187 -12.514 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.854 -12.815 1.749 1.00 0.00 H new ATOM 996 N VAL A 67 -15.231 -9.227 2.201 1.00 0.00 N ATOM 997 CA VAL A 67 -13.915 -8.754 1.789 1.00 0.00 C ATOM 998 C VAL A 67 -13.018 -8.507 2.997 1.00 0.00 C ATOM 999 O VAL A 67 -13.487 -8.104 4.062 1.00 0.00 O ATOM 1000 CB VAL A 67 -14.018 -7.456 0.966 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.765 -7.255 0.127 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -15.260 -7.480 0.088 1.00 0.00 C ATOM 0 H VAL A 67 -15.708 -8.619 2.867 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.477 -9.535 1.168 1.00 0.00 H new ATOM 0 HB VAL A 67 -14.104 -6.615 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.856 -6.333 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.896 -7.191 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.645 -8.097 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.317 -6.556 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -15.207 -8.329 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -16.147 -7.573 0.715 1.00 0.00 H new ATOM 1012 N THR A 68 -11.722 -8.751 2.824 1.00 0.00 N ATOM 1013 CA THR A 68 -10.758 -8.556 3.899 1.00 0.00 C ATOM 1014 C THR A 68 -9.637 -7.617 3.469 1.00 0.00 C ATOM 1015 O THR A 68 -9.236 -7.608 2.305 1.00 0.00 O ATOM 1016 CB THR A 68 -10.146 -9.894 4.354 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.185 -10.832 4.653 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.266 -9.698 5.580 1.00 0.00 C ATOM 0 H THR A 68 -11.317 -9.084 1.949 1.00 0.00 H new ATOM 0 HA THR A 68 -11.301 -8.111 4.733 1.00 0.00 H new ATOM 0 HB THR A 68 -9.530 -10.281 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.787 -11.680 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.845 -10.657 5.883 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.458 -9.006 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.864 -9.290 6.395 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.134 -6.830 4.415 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.058 -5.888 4.131 1.00 0.00 C ATOM 1028 C GLU A 69 -6.720 -6.422 4.635 1.00 0.00 C ATOM 1029 O GLU A 69 -6.658 -7.116 5.650 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.354 -4.532 4.776 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.246 -3.511 4.582 1.00 0.00 C ATOM 1032 CD GLU A 69 -7.346 -2.350 5.553 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -8.480 -1.999 5.942 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -6.292 -1.792 5.923 1.00 0.00 O ATOM 0 H GLU A 69 -9.454 -6.826 5.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.995 -5.762 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.279 -4.135 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.521 -4.676 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.280 -4.001 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.282 -3.130 3.561 1.00 0.00 H new ATOM 1041 N THR A 70 -5.650 -6.093 3.918 1.00 0.00 N ATOM 1042 CA THR A 70 -4.314 -6.540 4.290 1.00 0.00 C ATOM 1043 C THR A 70 -3.285 -5.435 4.076 1.00 0.00 C ATOM 1044 O THR A 70 -2.992 -5.056 2.941 1.00 0.00 O ATOM 1045 CB THR A 70 -3.892 -7.782 3.482 1.00 0.00 C ATOM 1046 OG1 THR A 70 -4.809 -8.855 3.719 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.484 -8.219 3.858 1.00 0.00 C ATOM 0 H THR A 70 -5.683 -5.518 3.076 1.00 0.00 H new ATOM 0 HA THR A 70 -4.351 -6.799 5.348 1.00 0.00 H new ATOM 0 HB THR A 70 -3.904 -7.521 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.535 -9.640 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.208 -9.097 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.784 -7.410 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.450 -8.463 4.920 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.739 -4.921 5.173 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.741 -3.859 5.105 1.00 0.00 C ATOM 1057 C LEU A 71 -0.330 -4.433 5.172 1.00 0.00 C ATOM 1058 O LEU A 71 -0.034 -5.284 6.011 1.00 0.00 O ATOM 1059 CB LEU A 71 -1.953 -2.861 6.244 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.423 -1.446 6.005 1.00 0.00 C ATOM 1061 CD1 LEU A 71 0.083 -1.469 5.797 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -2.119 -0.812 4.809 1.00 0.00 C ATOM 0 H LEU A 71 -2.970 -5.222 6.120 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.858 -3.344 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.021 -2.797 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.479 -3.258 7.141 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.638 -0.843 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.443 -0.454 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.566 -1.883 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.321 -2.087 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.730 0.194 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.935 -1.414 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.191 -0.761 4.997 1.00 0.00 H new ATOM 1074 N VAL A 72 0.539 -3.960 4.285 1.00 0.00 N ATOM 1075 CA VAL A 72 1.921 -4.423 4.245 1.00 0.00 C ATOM 1076 C VAL A 72 2.895 -3.258 4.380 1.00 0.00 C ATOM 1077 O VAL A 72 2.486 -2.100 4.465 1.00 0.00 O ATOM 1078 CB VAL A 72 2.221 -5.181 2.938 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.290 -6.374 2.787 1.00 0.00 C ATOM 1080 CG2 VAL A 72 2.105 -4.248 1.743 1.00 0.00 C ATOM 0 H VAL A 72 0.310 -3.256 3.584 1.00 0.00 H new ATOM 0 HA VAL A 72 2.052 -5.102 5.088 1.00 0.00 H new ATOM 0 HB VAL A 72 3.245 -5.553 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.517 -6.897 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.429 -7.052 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.256 -6.029 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.320 -4.800 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.094 -3.844 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.818 -3.430 1.849 1.00 0.00 H new ATOM 1090 N SER A 73 4.186 -3.573 4.397 1.00 0.00 N ATOM 1091 CA SER A 73 5.220 -2.552 4.525 1.00 0.00 C ATOM 1092 C SER A 73 5.511 -1.902 3.176 1.00 0.00 C ATOM 1093 O SER A 73 5.382 -2.535 2.128 1.00 0.00 O ATOM 1094 CB SER A 73 6.501 -3.163 5.097 1.00 0.00 C ATOM 1095 OG SER A 73 6.489 -3.139 6.513 1.00 0.00 O ATOM 0 H SER A 73 4.541 -4.526 4.324 1.00 0.00 H new ATOM 0 HA SER A 73 4.856 -1.784 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.605 -4.191 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.366 -2.612 4.728 1.00 0.00 H new ATOM 0 HG SER A 73 7.317 -3.536 6.854 1.00 0.00 H new ATOM 1101 N GLY A 74 5.905 -0.633 3.210 1.00 0.00 N ATOM 1102 CA GLY A 74 6.208 0.083 1.985 1.00 0.00 C ATOM 1103 C GLY A 74 7.239 -0.633 1.134 1.00 0.00 C ATOM 1104 O GLY A 74 7.160 -0.619 -0.095 1.00 0.00 O ATOM 0 H GLY A 74 6.020 -0.088 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.292 0.213 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.574 1.080 2.231 1.00 0.00 H new ATOM 1108 N THR A 75 8.211 -1.261 1.789 1.00 0.00 N ATOM 1109 CA THR A 75 9.263 -1.984 1.085 1.00 0.00 C ATOM 1110 C THR A 75 8.922 -3.464 0.957 1.00 0.00 C ATOM 1111 O THR A 75 9.809 -4.303 0.800 1.00 0.00 O ATOM 1112 CB THR A 75 10.618 -1.841 1.802 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.664 -2.381 0.986 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.598 -2.554 3.146 1.00 0.00 C ATOM 0 H THR A 75 8.291 -1.283 2.806 1.00 0.00 H new ATOM 0 HA THR A 75 9.338 -1.544 0.090 1.00 0.00 H new ATOM 0 HB THR A 75 10.802 -0.780 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.385 -3.251 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.566 -2.439 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.821 -2.121 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.393 -3.613 2.993 1.00 0.00 H new ATOM 1122 N GLN A 76 7.632 -3.778 1.025 1.00 0.00 N ATOM 1123 CA GLN A 76 7.175 -5.158 0.916 1.00 0.00 C ATOM 1124 C GLN A 76 6.401 -5.375 -0.380 1.00 0.00 C ATOM 1125 O GLN A 76 5.280 -4.891 -0.534 1.00 0.00 O ATOM 1126 CB GLN A 76 6.298 -5.523 2.115 1.00 0.00 C ATOM 1127 CG GLN A 76 5.680 -6.909 2.017 1.00 0.00 C ATOM 1128 CD GLN A 76 5.418 -7.528 3.376 1.00 0.00 C ATOM 1129 OE1 GLN A 76 4.304 -8.241 3.497 1.00 0.00 O flip ATOM 1130 NE2 GLN A 76 6.207 -7.367 4.307 1.00 0.00 N flip ATOM 0 H GLN A 76 6.885 -3.095 1.155 1.00 0.00 H new ATOM 0 HA GLN A 76 8.052 -5.805 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.897 -5.465 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.502 -4.785 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.743 -6.847 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.344 -7.559 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.051 -6.811 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.017 -7.789 5.216 1.00 0.00 H new ATOM 1139 N LEU A 77 7.008 -6.105 -1.310 1.00 0.00 N ATOM 1140 CA LEU A 77 6.376 -6.387 -2.594 1.00 0.00 C ATOM 1141 C LEU A 77 5.852 -7.819 -2.641 1.00 0.00 C ATOM 1142 O LEU A 77 5.812 -8.441 -3.703 1.00 0.00 O ATOM 1143 CB LEU A 77 7.369 -6.157 -3.735 1.00 0.00 C ATOM 1144 CG LEU A 77 7.985 -4.760 -3.816 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.143 -4.744 -4.802 1.00 0.00 C ATOM 1146 CD2 LEU A 77 6.933 -3.734 -4.211 1.00 0.00 C ATOM 0 H LEU A 77 7.937 -6.512 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 77 5.532 -5.707 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.176 -6.883 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.863 -6.365 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 77 8.369 -4.496 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.569 -3.742 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.908 -5.449 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.783 -5.030 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.390 -2.746 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.519 -3.994 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.136 -3.726 -3.468 1.00 0.00 H new ATOM 1158 N SER A 78 5.450 -8.335 -1.484 1.00 0.00 N ATOM 1159 CA SER A 78 4.930 -9.694 -1.393 1.00 0.00 C ATOM 1160 C SER A 78 4.092 -9.872 -0.131 1.00 0.00 C ATOM 1161 O SER A 78 4.318 -9.200 0.876 1.00 0.00 O ATOM 1162 CB SER A 78 6.079 -10.704 -1.403 1.00 0.00 C ATOM 1163 OG SER A 78 6.883 -10.572 -0.244 1.00 0.00 O ATOM 0 H SER A 78 5.474 -7.832 -0.597 1.00 0.00 H new ATOM 0 HA SER A 78 4.292 -9.871 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.678 -11.716 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.691 -10.555 -2.293 1.00 0.00 H new ATOM 0 HG SER A 78 7.609 -11.229 -0.273 1.00 0.00 H new ATOM 1169 N GLN A 79 3.124 -10.780 -0.193 1.00 0.00 N ATOM 1170 CA GLN A 79 2.252 -11.046 0.944 1.00 0.00 C ATOM 1171 C GLN A 79 1.602 -12.420 0.823 1.00 0.00 C ATOM 1172 O GLN A 79 1.123 -12.800 -0.247 1.00 0.00 O ATOM 1173 CB GLN A 79 1.173 -9.966 1.050 1.00 0.00 C ATOM 1174 CG GLN A 79 0.270 -10.126 2.263 1.00 0.00 C ATOM 1175 CD GLN A 79 1.032 -10.057 3.571 1.00 0.00 C ATOM 1176 OE1 GLN A 79 1.948 -9.250 3.728 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.656 -10.906 4.521 1.00 0.00 N ATOM 0 H GLN A 79 2.924 -11.344 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 79 2.861 -11.031 1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.652 -8.988 1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.562 -9.984 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.492 -9.347 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.250 -11.082 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.109 -11.558 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.132 -10.905 5.423 1.00 0.00 H new ATOM 1186 N LEU A 80 1.589 -13.163 1.924 1.00 0.00 N ATOM 1187 CA LEU A 80 0.997 -14.496 1.941 1.00 0.00 C ATOM 1188 C LEU A 80 -0.374 -14.475 2.609 1.00 0.00 C ATOM 1189 O LEU A 80 -0.498 -14.131 3.784 1.00 0.00 O ATOM 1190 CB LEU A 80 1.918 -15.474 2.673 1.00 0.00 C ATOM 1191 CG LEU A 80 1.693 -16.958 2.376 1.00 0.00 C ATOM 1192 CD1 LEU A 80 2.057 -17.275 0.934 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.501 -17.821 3.334 1.00 0.00 C ATOM 0 H LEU A 80 1.982 -12.865 2.817 1.00 0.00 H new ATOM 0 HA LEU A 80 0.873 -14.825 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.950 -15.226 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.803 -15.317 3.745 1.00 0.00 H new ATOM 0 HG LEU A 80 0.636 -17.182 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.891 -18.335 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.435 -16.682 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.106 -17.036 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.329 -18.874 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.561 -17.594 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.192 -17.614 4.359 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.400 -14.848 1.852 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.762 -14.875 2.371 1.00 0.00 C ATOM 1207 C ILE A 81 -3.212 -16.304 2.658 1.00 0.00 C ATOM 1208 O ILE A 81 -3.634 -17.025 1.755 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.753 -14.224 1.388 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.270 -12.827 0.993 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.142 -14.156 2.003 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.221 -11.855 2.151 1.00 0.00 C ATOM 0 H ILE A 81 -1.314 -15.136 0.877 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.757 -14.304 3.300 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.805 -14.837 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.276 -12.906 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.929 -12.428 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.831 -13.693 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.486 -15.163 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.107 -13.562 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.870 -10.885 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.218 -11.746 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.539 -12.232 2.914 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.121 -16.704 3.922 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.521 -18.047 4.328 1.00 0.00 C ATOM 1226 C GLU A 82 -4.947 -18.049 4.871 1.00 0.00 C ATOM 1227 O GLU A 82 -5.520 -16.996 5.147 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.560 -18.590 5.387 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.155 -18.839 4.864 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.135 -18.983 5.977 1.00 0.00 C ATOM 1231 OE1 GLU A 82 0.039 -20.114 6.478 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.488 -17.966 6.348 1.00 0.00 O ATOM 0 H GLU A 82 -2.774 -16.119 4.682 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.484 -18.691 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.510 -17.884 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.961 -19.522 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.153 -19.743 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.863 -18.015 4.213 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.516 -19.242 5.019 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.870 -19.360 5.527 1.00 0.00 C ATOM 1241 C GLY A 83 -7.910 -19.295 4.426 1.00 0.00 C ATOM 1242 O GLY A 83 -8.978 -18.708 4.605 1.00 0.00 O ATOM 0 H GLY A 83 -5.063 -20.128 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.972 -20.303 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.056 -18.562 6.246 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.598 -19.897 3.284 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.513 -19.903 2.148 1.00 0.00 C ATOM 1248 C LEU A 84 -9.099 -21.294 1.928 1.00 0.00 C ATOM 1249 O LEU A 84 -8.732 -22.249 2.614 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.790 -19.436 0.883 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.033 -18.113 0.992 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.848 -18.095 0.038 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -7.963 -16.941 0.713 1.00 0.00 C ATOM 0 H LEU A 84 -6.719 -20.387 3.120 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.330 -19.215 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.085 -20.212 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.523 -19.347 0.082 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.655 -18.016 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.321 -17.145 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.170 -18.912 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.203 -18.215 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.407 -16.007 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.372 -17.032 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.778 -16.943 1.437 1.00 0.00 H new ATOM 1265 N ASP A 85 -10.009 -21.402 0.967 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.644 -22.677 0.654 1.00 0.00 C ATOM 1267 C ASP A 85 -10.079 -23.263 -0.636 1.00 0.00 C ATOM 1268 O ASP A 85 -9.585 -22.535 -1.496 1.00 0.00 O ATOM 1269 CB ASP A 85 -12.158 -22.501 0.529 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.776 -21.899 1.776 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -12.865 -20.656 1.853 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.169 -22.672 2.675 1.00 0.00 O ATOM 0 H ASP A 85 -10.324 -20.622 0.391 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.433 -23.369 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.377 -21.862 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.618 -23.469 0.330 1.00 0.00 H new ATOM 1277 N ARG A 86 -10.155 -24.584 -0.763 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.649 -25.268 -1.947 1.00 0.00 C ATOM 1279 C ARG A 86 -10.668 -25.215 -3.082 1.00 0.00 C ATOM 1280 O ARG A 86 -11.824 -24.848 -2.876 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.314 -26.724 -1.616 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.437 -27.462 -0.906 1.00 0.00 C ATOM 1283 CD ARG A 86 -10.402 -28.952 -1.207 1.00 0.00 C ATOM 1284 NE ARG A 86 -11.277 -29.711 -0.317 1.00 0.00 N ATOM 1285 CZ ARG A 86 -11.761 -30.912 -0.611 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -11.456 -31.489 -1.766 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -12.551 -31.540 0.251 1.00 0.00 N ATOM 0 H ARG A 86 -10.562 -25.202 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.742 -24.758 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.071 -27.251 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.422 -26.749 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.354 -27.305 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.397 -27.050 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.703 -29.120 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.380 -29.318 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.530 -29.296 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.848 -31.010 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.829 -32.412 -1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.787 -31.100 1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.922 -32.463 0.024 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.229 -25.584 -4.282 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.114 -25.570 -5.432 1.00 0.00 C ATOM 1303 C GLY A 87 -12.104 -24.423 -5.388 1.00 0.00 C ATOM 1304 O GLY A 87 -13.311 -24.628 -5.521 1.00 0.00 O ATOM 0 H GLY A 87 -9.277 -25.892 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.520 -25.498 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.658 -26.514 -5.480 1.00 0.00 H new ATOM 1308 N THR A 88 -11.594 -23.210 -5.199 1.00 0.00 N ATOM 1309 CA THR A 88 -12.441 -22.026 -5.135 1.00 0.00 C ATOM 1310 C THR A 88 -11.714 -20.800 -5.675 1.00 0.00 C ATOM 1311 O THR A 88 -10.547 -20.570 -5.360 1.00 0.00 O ATOM 1312 CB THR A 88 -12.901 -21.742 -3.692 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.672 -22.842 -3.198 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.729 -20.467 -3.630 1.00 0.00 C ATOM 0 H THR A 88 -10.598 -23.022 -5.088 1.00 0.00 H new ATOM 0 HA THR A 88 -13.315 -22.229 -5.754 1.00 0.00 H new ATOM 0 HB THR A 88 -12.015 -21.612 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.070 -23.557 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.043 -20.287 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.129 -19.626 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.609 -20.573 -4.264 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.412 -20.015 -6.490 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.831 -18.811 -7.074 1.00 0.00 C ATOM 1324 C GLU A 89 -11.764 -17.686 -6.046 1.00 0.00 C ATOM 1325 O GLU A 89 -12.656 -17.540 -5.209 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.648 -18.361 -8.287 1.00 0.00 C ATOM 1327 CG GLU A 89 -11.892 -17.428 -9.217 1.00 0.00 C ATOM 1328 CD GLU A 89 -10.989 -18.172 -10.183 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -11.445 -19.178 -10.766 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -9.828 -17.747 -10.355 1.00 0.00 O ATOM 0 H GLU A 89 -13.380 -20.191 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.816 -19.047 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.965 -19.240 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.552 -17.861 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.605 -16.827 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.293 -16.737 -8.624 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.701 -16.893 -6.114 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.515 -15.782 -5.188 1.00 0.00 C ATOM 1339 C TYR A 90 -10.053 -14.529 -5.926 1.00 0.00 C ATOM 1340 O TYR A 90 -9.216 -14.598 -6.825 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.497 -16.155 -4.109 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.069 -17.028 -3.015 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -10.843 -16.484 -1.997 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -9.835 -18.398 -2.999 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.366 -17.278 -0.995 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.355 -19.200 -2.001 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.120 -18.635 -1.002 1.00 0.00 C ATOM 1348 OH TYR A 90 -11.640 -19.430 -0.006 1.00 0.00 O ATOM 0 H TYR A 90 -9.954 -16.999 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.475 -15.571 -4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.659 -16.673 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.100 -15.242 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.039 -15.422 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.237 -18.843 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.964 -16.839 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.164 -20.263 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.572 -18.964 0.853 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.606 -13.384 -5.539 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.252 -12.114 -6.162 1.00 0.00 C ATOM 1360 C ASN A 91 -9.319 -11.309 -5.264 1.00 0.00 C ATOM 1361 O ASN A 91 -9.571 -11.153 -4.069 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.513 -11.302 -6.466 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.221 -11.780 -7.718 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -12.298 -13.095 -7.889 1.00 0.00 O flip ATOM 1365 ND2 ASN A 91 -12.694 -10.977 -8.523 1.00 0.00 N flip ATOM 0 H ASN A 91 -11.301 -13.310 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.732 -12.328 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.196 -11.366 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.246 -10.251 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.612 -9.975 -8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.168 -11.314 -9.361 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.240 -10.798 -5.848 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.267 -10.008 -5.101 1.00 0.00 C ATOM 1374 C PHE A 92 -6.917 -8.726 -5.850 1.00 0.00 C ATOM 1375 O PHE A 92 -7.001 -8.669 -7.077 1.00 0.00 O ATOM 1376 CB PHE A 92 -6.000 -10.827 -4.848 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.253 -12.111 -4.111 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.674 -13.244 -4.789 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -6.071 -12.186 -2.739 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.907 -14.427 -4.114 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.302 -13.366 -2.059 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.722 -14.488 -2.747 1.00 0.00 C ATOM 0 H PHE A 92 -8.017 -10.917 -6.836 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.714 -9.738 -4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.526 -11.053 -5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.294 -10.223 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.822 -13.202 -5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.745 -11.312 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.233 -15.303 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.154 -13.411 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.905 -15.411 -2.217 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.524 -7.700 -5.103 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.163 -6.418 -5.696 1.00 0.00 C ATOM 1394 C ARG A 93 -5.203 -5.652 -4.790 1.00 0.00 C ATOM 1395 O ARG A 93 -5.469 -5.463 -3.603 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.416 -5.579 -5.954 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.023 -4.988 -4.692 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.358 -4.318 -4.978 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.235 -3.253 -5.970 1.00 0.00 N ATOM 1400 CZ ARG A 93 -10.276 -2.636 -6.519 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -11.510 -2.977 -6.174 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.083 -1.676 -7.414 1.00 0.00 N ATOM 0 H ARG A 93 -6.447 -7.731 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.664 -6.613 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.166 -4.770 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.163 -6.199 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.161 -5.775 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.334 -4.261 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.069 -5.064 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.763 -3.907 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.299 -2.967 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.662 -3.714 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.307 -2.502 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.135 -1.411 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.883 -1.203 -7.835 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.085 -5.212 -5.359 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.085 -4.466 -4.604 1.00 0.00 C ATOM 1418 C VAL A 94 -3.164 -2.975 -4.912 1.00 0.00 C ATOM 1419 O VAL A 94 -3.348 -2.577 -6.061 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.661 -4.968 -4.909 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.639 -4.220 -4.066 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.563 -6.467 -4.675 1.00 0.00 C ATOM 0 H VAL A 94 -3.849 -5.359 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.300 -4.628 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.443 -4.773 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.361 -4.588 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.693 -3.154 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.851 -4.381 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.550 -6.804 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.801 -6.689 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.267 -6.984 -5.327 1.00 0.00 H new ATOM 1432 N ALA A 95 -3.023 -2.154 -3.876 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.075 -0.706 -4.036 1.00 0.00 C ATOM 1434 C ALA A 95 -1.969 -0.026 -3.237 1.00 0.00 C ATOM 1435 O ALA A 95 -1.699 -0.394 -2.094 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.437 -0.178 -3.611 1.00 0.00 C ATOM 0 H ALA A 95 -2.872 -2.467 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.920 -0.475 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.463 0.905 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.212 -0.633 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.614 -0.427 -2.565 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.331 0.969 -3.846 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.255 1.702 -3.191 1.00 0.00 C ATOM 1444 C ALA A 96 -0.808 2.814 -2.307 1.00 0.00 C ATOM 1445 O ALA A 96 -1.877 3.363 -2.577 1.00 0.00 O ATOM 1446 CB ALA A 96 0.700 2.274 -4.227 1.00 0.00 C ATOM 0 H ALA A 96 -1.541 1.286 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 96 0.291 1.006 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.499 2.819 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.129 1.462 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.158 2.952 -4.887 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.074 3.142 -1.249 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.492 4.190 -0.324 1.00 0.00 C ATOM 1454 C LEU A 97 0.620 5.215 -0.124 1.00 0.00 C ATOM 1455 O LEU A 97 1.802 4.871 -0.109 1.00 0.00 O ATOM 1456 CB LEU A 97 -0.886 3.581 1.023 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.047 2.586 0.995 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.886 1.546 2.093 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.376 3.314 1.139 1.00 0.00 C ATOM 0 H LEU A 97 0.813 2.698 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.356 4.697 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.014 3.079 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.145 4.392 1.704 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.038 2.073 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.721 0.847 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.952 1.003 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.869 2.041 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.191 2.591 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.395 3.853 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.495 4.020 0.317 1.00 0.00 H new ATOM 1471 N THR A 98 0.233 6.478 0.030 1.00 0.00 N ATOM 1472 CA THR A 98 1.196 7.554 0.230 1.00 0.00 C ATOM 1473 C THR A 98 0.679 8.574 1.238 1.00 0.00 C ATOM 1474 O THR A 98 -0.464 8.492 1.687 1.00 0.00 O ATOM 1475 CB THR A 98 1.516 8.273 -1.094 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.423 9.119 -1.469 1.00 0.00 O ATOM 1477 CG2 THR A 98 1.790 7.269 -2.203 1.00 0.00 C ATOM 0 H THR A 98 -0.741 6.781 0.020 1.00 0.00 H new ATOM 0 HA THR A 98 2.107 7.096 0.616 1.00 0.00 H new ATOM 0 HB THR A 98 2.410 8.879 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.717 9.745 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.013 7.801 -3.128 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.641 6.646 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.912 6.640 -2.349 1.00 0.00 H new ATOM 1485 N ILE A 99 1.528 9.534 1.589 1.00 0.00 N ATOM 1486 CA ILE A 99 1.156 10.571 2.543 1.00 0.00 C ATOM 1487 C ILE A 99 -0.056 11.358 2.054 1.00 0.00 C ATOM 1488 O ILE A 99 -0.853 11.848 2.853 1.00 0.00 O ATOM 1489 CB ILE A 99 2.320 11.547 2.795 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.957 12.529 3.912 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.670 12.296 1.518 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.344 12.044 5.292 1.00 0.00 C ATOM 0 H ILE A 99 2.478 9.615 1.227 1.00 0.00 H new ATOM 0 HA ILE A 99 0.907 10.067 3.477 1.00 0.00 H new ATOM 0 HB ILE A 99 3.193 10.975 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.448 13.483 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.883 12.713 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.494 12.982 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.965 11.584 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.802 12.860 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.057 12.790 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.832 11.105 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.422 11.887 5.334 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.189 11.472 0.737 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.304 12.198 0.141 1.00 0.00 C ATOM 1506 C ASN A 100 -2.624 11.480 0.405 1.00 0.00 C ATOM 1507 O ASN A 100 -3.699 12.060 0.261 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.090 12.358 -1.365 1.00 0.00 C ATOM 1509 CG ASN A 100 0.090 13.253 -1.690 1.00 0.00 C ATOM 1510 OD1 ASN A 100 -0.054 14.469 -1.814 1.00 0.00 O ATOM 1511 ND2 ASN A 100 1.267 12.653 -1.829 1.00 0.00 N ATOM 0 H ASN A 100 0.462 11.071 0.062 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.349 13.185 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.932 11.377 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.992 12.773 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.097 13.204 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.340 11.642 -1.717 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.533 10.211 0.794 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.727 9.434 1.073 1.00 0.00 C ATOM 1520 C GLY A 101 -3.683 8.057 0.441 1.00 0.00 C ATOM 1521 O GLY A 101 -2.645 7.394 0.448 1.00 0.00 O ATOM 0 H GLY A 101 -1.655 9.708 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.846 9.332 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.601 9.972 0.705 1.00 0.00 H new ATOM 1525 N THR A 102 -4.813 7.623 -0.108 1.00 0.00 N ATOM 1526 CA THR A 102 -4.900 6.315 -0.745 1.00 0.00 C ATOM 1527 C THR A 102 -4.470 6.385 -2.206 1.00 0.00 C ATOM 1528 O THR A 102 -4.407 7.463 -2.794 1.00 0.00 O ATOM 1529 CB THR A 102 -6.330 5.747 -0.670 1.00 0.00 C ATOM 1530 OG1 THR A 102 -7.271 6.729 -1.119 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.671 5.325 0.751 1.00 0.00 C ATOM 0 H THR A 102 -5.681 8.159 -0.124 1.00 0.00 H new ATOM 0 HA THR A 102 -4.225 5.654 -0.201 1.00 0.00 H new ATOM 0 HB THR A 102 -6.383 4.870 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.178 6.360 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.685 4.927 0.779 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.971 4.557 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.601 6.188 1.413 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.175 5.226 -2.787 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.754 5.178 -4.176 1.00 0.00 C ATOM 1541 C GLY A 103 -4.583 4.213 -4.999 1.00 0.00 C ATOM 1542 O GLY A 103 -5.559 3.634 -4.521 1.00 0.00 O ATOM 0 H GLY A 103 -4.220 4.320 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.826 6.176 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.705 4.885 -4.225 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.195 4.029 -6.270 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.897 3.128 -7.190 1.00 0.00 C ATOM 1548 C PRO A 104 -4.712 1.661 -6.818 1.00 0.00 C ATOM 1549 O PRO A 104 -3.851 1.320 -6.008 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.244 3.424 -8.542 1.00 0.00 C ATOM 1551 CG PRO A 104 -2.889 3.941 -8.204 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.041 4.686 -6.907 1.00 0.00 C ATOM 0 HA PRO A 104 -5.975 3.290 -7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.183 2.526 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.818 4.159 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.174 3.125 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.515 4.598 -8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.145 4.609 -6.292 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.224 5.748 -7.072 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.525 0.797 -7.416 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.449 -0.634 -7.149 1.00 0.00 C ATOM 1562 C ALA A 105 -5.297 -1.426 -8.443 1.00 0.00 C ATOM 1563 O ALA A 105 -5.516 -0.901 -9.535 1.00 0.00 O ATOM 1564 CB ALA A 105 -6.683 -1.095 -6.387 1.00 0.00 C ATOM 0 H ALA A 105 -6.244 1.063 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.567 -0.818 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.613 -2.166 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.747 -0.559 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.574 -0.891 -6.980 1.00 0.00 H new ATOM 1570 N THR A 106 -4.921 -2.695 -8.314 1.00 0.00 N ATOM 1571 CA THR A 106 -4.738 -3.559 -9.473 1.00 0.00 C ATOM 1572 C THR A 106 -6.037 -4.266 -9.843 1.00 0.00 C ATOM 1573 O THR A 106 -6.730 -4.803 -8.979 1.00 0.00 O ATOM 1574 CB THR A 106 -3.647 -4.616 -9.219 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.045 -5.485 -8.152 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.322 -3.954 -8.873 1.00 0.00 C ATOM 0 H THR A 106 -4.737 -3.147 -7.418 1.00 0.00 H new ATOM 0 HA THR A 106 -4.428 -2.918 -10.298 1.00 0.00 H new ATOM 0 HB THR A 106 -3.517 -5.198 -10.131 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.542 -6.246 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.567 -4.721 -8.698 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.007 -3.317 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.441 -3.350 -7.974 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.361 -4.261 -11.131 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.577 -4.904 -11.616 1.00 0.00 C ATOM 1586 C ASP A 107 -7.858 -6.189 -10.844 1.00 0.00 C ATOM 1587 O ASP A 107 -6.934 -6.903 -10.453 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.459 -5.207 -13.110 1.00 0.00 C ATOM 1589 CG ASP A 107 -6.538 -4.239 -13.826 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -5.309 -4.333 -13.627 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -7.046 -3.386 -14.585 1.00 0.00 O ATOM 0 H ASP A 107 -5.799 -3.819 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.409 -4.217 -11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.088 -6.223 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.449 -5.167 -13.565 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.136 -6.477 -10.628 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.537 -7.676 -9.901 1.00 0.00 C ATOM 1598 C TRP A 108 -8.949 -8.926 -10.547 1.00 0.00 C ATOM 1599 O TRP A 108 -9.427 -9.385 -11.584 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.062 -7.782 -9.854 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.683 -6.941 -8.780 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.560 -5.908 -8.952 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.471 -7.059 -7.369 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.907 -5.378 -7.733 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.253 -6.067 -6.746 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.700 -7.908 -6.571 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.282 -5.901 -5.363 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.729 -7.743 -5.199 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.517 -6.746 -4.607 1.00 0.00 C ATOM 0 H TRP A 108 -9.912 -5.897 -10.946 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.153 -7.600 -8.884 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.470 -7.484 -10.820 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.342 -8.824 -9.697 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -12.927 -5.559 -9.906 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.548 -4.598 -7.587 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.092 -8.680 -7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.887 -5.133 -4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.135 -8.393 -4.573 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.520 -6.643 -3.532 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.908 -9.472 -9.927 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.254 -10.670 -10.442 1.00 0.00 C ATOM 1622 C LEU A 109 -7.800 -11.923 -9.764 1.00 0.00 C ATOM 1623 O LEU A 109 -7.601 -12.130 -8.567 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.742 -10.581 -10.230 1.00 0.00 C ATOM 1625 CG LEU A 109 -4.875 -11.281 -11.277 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.156 -10.722 -12.663 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.400 -11.136 -10.931 1.00 0.00 C ATOM 0 H LEU A 109 -7.499 -9.104 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.462 -10.736 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.461 -9.528 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.507 -11.002 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.125 -12.342 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.530 -11.232 -13.395 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.206 -10.878 -12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.934 -9.655 -12.677 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.798 -11.640 -11.687 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.135 -10.079 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.209 -11.585 -9.956 1.00 0.00 H new ATOM 1639 N SER A 110 -8.489 -12.756 -10.537 1.00 0.00 N ATOM 1640 CA SER A 110 -9.066 -13.987 -10.012 1.00 0.00 C ATOM 1641 C SER A 110 -8.055 -15.128 -10.068 1.00 0.00 C ATOM 1642 O SER A 110 -7.268 -15.229 -11.009 1.00 0.00 O ATOM 1643 CB SER A 110 -10.322 -14.365 -10.800 1.00 0.00 C ATOM 1644 OG SER A 110 -11.307 -13.350 -10.706 1.00 0.00 O ATOM 0 H SER A 110 -8.661 -12.600 -11.530 1.00 0.00 H new ATOM 0 HA SER A 110 -9.338 -13.815 -8.970 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.063 -14.529 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.725 -15.304 -10.420 1.00 0.00 H new ATOM 0 HG SER A 110 -11.643 -13.304 -9.786 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.082 -15.986 -9.053 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.170 -17.121 -8.987 1.00 0.00 C ATOM 1652 C ALA A 111 -7.858 -18.344 -8.390 1.00 0.00 C ATOM 1653 O ALA A 111 -8.494 -18.258 -7.341 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.935 -16.759 -8.175 1.00 0.00 C ATOM 0 H ALA A 111 -8.726 -15.916 -8.265 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.864 -17.369 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.263 -17.616 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.424 -15.919 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.233 -16.483 -7.164 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.725 -19.480 -9.067 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.336 -20.720 -8.604 1.00 0.00 C ATOM 1662 C GLU A 112 -7.308 -21.605 -7.905 1.00 0.00 C ATOM 1663 O GLU A 112 -6.301 -21.994 -8.497 1.00 0.00 O ATOM 1664 CB GLU A 112 -8.962 -21.476 -9.777 1.00 0.00 C ATOM 1665 CG GLU A 112 -10.012 -22.492 -9.357 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.531 -23.311 -10.522 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -9.805 -24.220 -10.978 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -11.662 -23.044 -10.979 1.00 0.00 O ATOM 0 H GLU A 112 -7.200 -19.567 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.117 -20.464 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.416 -20.758 -10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.174 -21.988 -10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.586 -23.161 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.845 -21.973 -8.883 1.00 0.00 H new ATOM 1675 N THR A 113 -7.569 -21.920 -6.640 1.00 0.00 N ATOM 1676 CA THR A 113 -6.667 -22.757 -5.858 1.00 0.00 C ATOM 1677 C THR A 113 -6.701 -24.202 -6.342 1.00 0.00 C ATOM 1678 O THR A 113 -7.556 -24.579 -7.144 1.00 0.00 O ATOM 1679 CB THR A 113 -7.023 -22.720 -4.360 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.444 -22.655 -4.196 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.374 -21.525 -3.679 1.00 0.00 C ATOM 0 H THR A 113 -8.398 -21.608 -6.135 1.00 0.00 H new ATOM 0 HA THR A 113 -5.663 -22.354 -5.995 1.00 0.00 H new ATOM 0 HB THR A 113 -6.645 -23.631 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.670 -21.919 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.640 -21.520 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.291 -21.592 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.726 -20.605 -4.146 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.767 -25.008 -5.848 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.690 -26.413 -6.231 1.00 0.00 C ATOM 1691 C PHE A 114 -6.627 -27.262 -5.376 1.00 0.00 C ATOM 1692 O PHE A 114 -6.486 -27.321 -4.155 1.00 0.00 O ATOM 1693 CB PHE A 114 -4.254 -26.923 -6.093 1.00 0.00 C ATOM 1694 CG PHE A 114 -3.246 -26.079 -6.819 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -3.226 -26.037 -8.204 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.319 -25.327 -6.116 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -2.300 -25.261 -8.875 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.391 -24.548 -6.782 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.381 -24.516 -8.163 1.00 0.00 C ATOM 0 H PHE A 114 -5.053 -24.712 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.000 -26.497 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.990 -26.961 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.201 -27.944 -6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.943 -26.618 -8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.321 -25.349 -5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.295 -25.237 -9.955 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.674 -23.965 -6.223 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.656 -23.909 -8.685 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.584 -27.916 -6.027 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.545 -28.759 -5.326 1.00 0.00 C ATOM 1711 C GLU A 115 -7.866 -29.544 -4.207 1.00 0.00 C ATOM 1712 O GLU A 115 -8.462 -29.793 -3.159 1.00 0.00 O ATOM 1713 CB GLU A 115 -9.218 -29.725 -6.304 1.00 0.00 C ATOM 1714 CG GLU A 115 -10.157 -29.042 -7.284 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.340 -29.832 -8.565 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -9.332 -30.347 -9.094 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -11.491 -29.936 -9.038 1.00 0.00 O ATOM 0 H GLU A 115 -7.714 -27.878 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.303 -28.112 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.449 -30.258 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.776 -30.471 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.128 -28.896 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.768 -28.053 -7.524 1.00 0.00 H new ATOM 1724 N SER A 116 -6.615 -29.929 -4.438 1.00 0.00 N ATOM 1725 CA SER A 116 -5.855 -30.689 -3.451 1.00 0.00 C ATOM 1726 C SER A 116 -4.382 -30.292 -3.477 1.00 0.00 C ATOM 1727 O SER A 116 -3.963 -29.473 -4.295 1.00 0.00 O ATOM 1728 CB SER A 116 -5.995 -32.190 -3.714 1.00 0.00 C ATOM 1729 OG SER A 116 -7.104 -32.728 -3.016 1.00 0.00 O ATOM 0 H SER A 116 -6.106 -29.728 -5.299 1.00 0.00 H new ATOM 0 HA SER A 116 -6.258 -30.461 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.114 -32.366 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.084 -32.703 -3.406 1.00 0.00 H new ATOM 0 HG SER A 116 -7.788 -32.035 -2.905 1.00 0.00 H new